31316 -OEChem-03292409442D 62 65 0 0 0 0 0 0 0999 V2000 5.8243 -1.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 -3.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2195 -0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 2.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2354 -0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 0.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8218 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6438 0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 1.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 -2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0468 1.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 1.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 -1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2248 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -2.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4135 -2.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5554 1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0415 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2802 0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -0.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4103 0.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0861 1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1801 -1.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 2.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -3.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8475 -2.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1603 -3.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9795 -2.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7459 0.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 1.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3648 1.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 -0.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 -2.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1052 0.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6582 1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9777 1.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 2.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 2.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9582 1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 2.6113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 3.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 2.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 1.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 0.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5831 -0.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 3.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 16 2 0 0 0 0 3 22 1 0 0 0 0 3 61 1 0 0 0 0 4 23 1 0 0 0 0 4 62 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 16 1 0 0 0 0 9 24 2 0 0 0 0 10 20 2 0 0 0 0 10 25 1 0 0 0 0 11 21 2 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 22 2 0 0 0 0 15 19 1 0 0 0 0 15 23 2 0 0 0 0 17 27 1 0 0 0 0 17 35 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 36 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 24 28 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > 31316 > 1 > 636 > 4 > 2 > 4 > AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYMAAAAAAAEgBUAAAGgAACAAADUSAmAAyDoAABgCIAiDSCAACAAAkIAAIiAEGCMgIJjKCNRqCcQAkwBEIuYeK6PyO4AADAAAYAADAAAYAADAAAAAAAAAAAA== > 3,3-bis(4-hydroxy-5-isopropyl-2-methyl-phenyl)isobenzofuran-1-one > 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone > 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one > 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one > 3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one > thymolphthalein > InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3 > LDKDGDIWEUUXSH-UHFFFAOYSA-N > 6.8 > 430.21440943 > C28H30O4 > 430.5 > CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O > CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O > 66.8 > 430.21440943 > 0 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 8 11 21 8 12 14 8 13 15 8 14 22 8 15 23 8 17 27 8 20 22 8 21 23 8 24 28 8 27 28 8 6 10 8 6 12 8 7 11 8 7 13 8 8 17 8 8 9 8 9 24 8 $$$$